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CHEBI:194707 - 2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

ChEBI IDCHEBI:194707
ChEBI Name2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H41NO8P
Net Charge+1
Average Mass454.521
Monoisotopic Mass454.25643
SMILESCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
InChIInChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m0/s1
InChIKeyDVZARZBAWHITHR-SFHVURJKSA-O
ChEBI Ontology
Outgoing Relation(s)
2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium (CHEBI:194707) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
2-[[(2S)-2,3-di(hexanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual XrefsDatabases
110627ChemSpider